Re: [PyMOL] Display vectors of some atoms by arrow? (S4C6Ar Chung)

2009-09-10 Thread Sean Law
Oscar, If you visit the PyMOL-Wiki, you will find a script called "modevectors.py": http://www.pymolwiki.org/index.php/Modevectors There are several examples there that will allow you to customize the arrows. Sean > Dear all, > > Is it possible to show normal model/vectors of the "selected

[PyMOL] Rigimol

2009-09-10 Thread Colin Levy
Hi, I have generated a morph between two large scale domain motions using Rigimol . The output is fine except that the two domains pass through each other during their trajectory. Anyone know how to avoid this type of problem. Thanks Colin -

Re: [PyMOL] Rigimol

2009-09-10 Thread Warren DeLano
Colin, Unfortunately, that is hard to do: there is no guarantee that the proposed (characteristic) path of motion which relates any two spacial orientations will possess reasonable chemistry or sterics. RigiMOL does make an attempt to resolve simple conflicts, and the refinement step can address

[PyMOL] Pymol hangs out...

2009-09-10 Thread Carlos RĂ­os Vera
Hello Pymol users & coders, I'm trying to make a class where I align two structures, it works, but I got an (for me) unusual behavior when I use the class twice. I have the next code: import __main__ __main__.pymol_argv = [ 'pymol', '-qc'] # Quiet and no GUI import pymol import sys, time, os c

[PyMOL] Alignment Objects

2009-09-10 Thread David Hall
Is there any documentation on getting information out of alignment objects into scripts? I tried looking around the wiki, but I didn't see anything. I'm just wondering things like if I have a residue in one object, finding the residue in another object that has been aligned. Thanks, David

[PyMOL] pymol does not open from a terminal

2009-09-10 Thread Maia Cherney
Hi, Could you please help me with a pymol problem. I have ubuntu linux and I have pymol in the /usr/bin (comes with ubuntu installation) and also one in the /programs/linux directory. But I can't open pymol in a terminal (both installations), only from applications/education menu. I get this er